2-[(dimethylamino)methyl]-4-nonylphenol

C18H31NO — CID 11140392

IUPAC2-[(dimethylamino)methyl]-4-nonylphenol
SMILESCCCCCCCCCc1ccc(O)c(CN(C)C)c1
InChIInChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-16-12-13-18(20)17(14-16)15-19(2)3/h12-14,20H,4-11,15H2,1-3H3
InChIKeyHHQIIFTZSGEZBU-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.75
Rot. Bonds10

About 2-[(dimethylamino)methyl]-4-nonylphenol

2-[(dimethylamino)methyl]-4-nonylphenol (PubChem CID 11140392) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-4-nonylphenol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-4-nonylphenol
PubChem CID11140392
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2-[(dimethylamino)methyl]-4-nonylphenol
SMILESCCCCCCCCCc1ccc(O)c(CN(C)C)c1
InChIInChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-16-12-13-18(20)17(14-16)15-19(2)3/h12-14,20H,4-11,15H2,1-3H3
InChIKeyHHQIIFTZSGEZBU-UHFFFAOYSA-N
XLogP4.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-4-nonylphenol?
The IUPAC name of 2-[(dimethylamino)methyl]-4-nonylphenol (CID 11140392) is 2-[(dimethylamino)methyl]-4-nonylphenol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-4-nonylphenol?
The canonical SMILES for 2-[(dimethylamino)methyl]-4-nonylphenol is CCCCCCCCCc1ccc(O)c(CN(C)C)c1.
What is the InChIKey of 2-[(dimethylamino)methyl]-4-nonylphenol?
The InChIKey is HHQIIFTZSGEZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-4-5-6-7-8-9-10-11-16-12-13-18(20)17(14-16)15-19(2)3/h12-14,20H,4-11,15H2,1-3H3.
What are the key properties of 2-[(dimethylamino)methyl]-4-nonylphenol?
2-[(dimethylamino)methyl]-4-nonylphenol has a molecular weight of 277.45 g/mol, XLogP of 4.75, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-4-nonylphenol is sourced from PubChem (CID 11140392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).